SCHEMBL983568

SCHEMBL983568

Nc1ncc(-c2ccc(CN3CCCC3)cc2)cc1-c1nnnn1-c1c(Cl)cccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 6/20 0.44
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
MET P08581 4/20 0.40
HRH4 Q9H3N8 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
TNIK Q9UKE5 1/20 0.37
MAP4K4 O95819 2/20 0.37
AXL P30530 1/20 0.37
MERTK Q12866 1/20 0.37
CHEK1 O14757 2/20 0.37
ACHE P22303 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL986722 0.94 LRRK2 (0.42) LRRK2CYP2D6CYP2C19METCNR1
SCHEMBL986411 0.90 LRRK2 (0.43) LRRK2CYP2D6CYP2C19METHRH4
SCHEMBL986564 0.90 LRRK2 (0.44) LRRK2CYP2D6CYP2C19METHRH4
SCHEMBL983197 0.89 LRRK2 (0.44) LRRK2CYP2D6CYP2C19METHRH4
SCHEMBL985351 0.88 LRRK2 (0.42) LRRK2CYP2D6CYP2C19METHRH4
SCHEMBL986203 0.87 LRRK2 (0.43) LRRK2CYP2D6CYP2C19CNR1CNR2
SCHEMBL985852 0.86 LRRK2 (0.42) LRRK2METHRH4HRH3MEN1
SCHEMBL986247 0.86 LRRK2 (0.43) LRRK2METHRH4HRH3ALDH1A1
SCHEMBL988146 0.85 LRRK2 (0.45) LRRK2HRH4HRH3MEN1ALDH1A1
SCHEMBL986807 0.85 LRRK2 (0.43) LRRK2CYP2D6CYP2C19METHRH4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101479255-B C-MET protein kinase inhibitors for the treatment of proliferative disorders VERTEX PHARMA 2013-05-01 CN claimed
US-8232406-B2 c-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-31 US claimed
US-20110059936-A1 C-MET PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-10 US claimed
US-7872031-B2 c-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-01-18 US claimed
EP-2004625-B1 C-MET PROTEIN KINASE INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS VERTEX PHARMA (US) 2009-12-30 EP claimed
US-20070254868-A1 C-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-11-01 US claimed
US-8232406-B2 c-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-31 US disclosed
US-8232406-B2 c-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-31 US disclosed
US-20110059936-A1 C-MET PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-10 US disclosed
US-20110059936-A1 C-MET PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-10 US disclosed
US-7872031-B2 c-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-01-18 US disclosed
US-7872031-B2 c-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-01-18 US disclosed
EP-2004625-B1 C-MET PROTEIN KINASE INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS VERTEX PHARMA (US) 2009-12-30 EP disclosed
US-20070254868-A1 C-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-11-01 US disclosed
US-20070254868-A1 C-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-11-01 US disclosed
WO-2007111904-A2 C-MET PROTEIN KINASE INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-10-04 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110059936-A1 C-MET PROTEIN KINASE INHIBITORS MET, PRKCH, ABL1 LRRK2 347/4885CYP2D6 4248/4885CYP2C19 4111/4885
US-20070254868-A1 C-MET protein kinase inhibitors MET, PRKCH, ABL1 LRRK2 347/4885CYP2D6 4248/4885CYP2C19 4111/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.